Contents

Current Computer-Aided Drug Design, Volume 11 - Number 3

Meet Our Editorial Board Member:

, 11(3): 195 - 196

Alexandru T. Balaban


DOI: 10.2174/157340991103151124190437




Editorial

Editorial: Big Data and New Drug Discovery: Tackling “Big Data” for Virtual Screening of Large Compound Databases

, 11(3): 197 - 201

Subhash C. Basak, Marjan Vracko and Apurba K. Bhattacharjee


DOI: 10.2174/157340991103151124190920




Analysis of Drug Design for a Selection of G Protein-Coupled Neuro- Receptors Using Neural Network Techniques

, 11(3): 202 - 211

Claus Agerskov, Rasmus M. Mortensen and Henrik G. Bohr


DOI: 10.2174/1573409911666151014114325




Interaction studies of Withania somnifera’s key metabolite Withaferin A with different receptors associated with cardiovascular disease

, 11(3): 212 - 221

Rekha Ravindran, Nitika Sharma, Sujata Roy, Ashoke R. Thakur, Subhadra Ganesh, Sriram Kumar, Jamuna Devi and Johanna Rajkumar


DOI: 10.2174/1573409912666151106115848




Ligand and Structure Based Models for the Identification of Beta 2 Adrenergic Receptor Antagonists

, 11(3): 222 - 236

Jayadev Joshi, Manali Dimri, Subhajit Ghosh, Nitisha Shrivastava, Rina Chakraborti, Neeta Sehgal, Jharna Ray and Indracanti Prem Kumar


DOI: 10.2174/1573409911666150812130420




Comparison of performance of docking, LIE, metadynamics and QSAR in predicting binding affinity of benzenesulfonamides

, 11(3): 237 - 244

Vytautas Raškevičius and Visvaldas Kairys


DOI: 10.2174/1573409911666150916092624




Combined 3D-QSAR and molecular docking study for identification of diverse natural products as potent Pf ENR inhibitors

, 11(3): 245 - 257

Preeti Wadhwa, Debasmita Saha and Anuj Sharma


DOI: 10.2174/1573409911666151030102113




Molecular Modeling Investigation of Folic Acid Conjugation to MDM2 Inhibitors for Enhanced Cellular Uptake and Target Binding

, 11(3): 258 - 265

Sachin P. Patil, Cassidy R. Kerezsi, Bridget M. Hicks and Alexandra H. Jednorski


DOI: 10.2174/1573409911666150812141216




FERN Ethnomedicinal Plant Database: Exploring fern ethnomedicinal plants knowledge for computational drug discovery

, 11(3): 266 - 271

Sambhaji B. Thakar, Pradnya N. Ghorpade, Manisha V. Kale and Kailas D. Sonawane


DOI: 10.2174/1573409911666151103114738




Rational Design and Optimization of Trypsin Inhibitory Peptides with Antibacterial Activity

, 11(3): 272 - 278

Xiaoqin Liu, Zhengling Wang, Jingming Cui and Wenli Su


DOI: 10.2174/1573409911666151103113741




Novel Thiosemicarbazide Hybrids with Amino Acids and Peptides Against Hepatocellular Carcinoma: A Molecular Designing Approach Towards Multikinase Inhibitor

, 11(3): 279 - 290

Shinu Chacko and Subir Samanta


DOI: 10.2174/1573409911666151103114300




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